SCHEMBL4624529

SCHEMBL4624529

COc1c(Cl)ccc2c3cccc(OP(O)O)c3c3ccc(Cl)c(OC)c3c12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CDK2 P24941 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
RAF1 P04049 1/20 0.30
CCR2 P41597 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4624638 0.74 ESR1 (0.38) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL7492914 0.74 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL4624368 0.71 HSD17B10 (0.39) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL19612339 0.70 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL30503961 0.70 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL3101709 0.69 SMN1; SMN2 (0.45) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL31081077 0.66 KDM4E (0.58) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL19612186 0.65 SMN1; SMN2 (0.44) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL11444125 0.63 TSHR (0.43) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL5507872 0.63 CA1 (0.62) KDM4EALDH1A1HSD17B10KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1394168-B1 Process for the preparation of phosphites and complexes with transition metals SALTIGO GMBH (DE) 2008-05-21 EP claimed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US claimed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US claimed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US disclosed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US disclosed